@TOME V2.3
(Nov 2016)
Ref.
-
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Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : Lmo2287: (2016-04-02 )
MSDGSVVIEISLDDKKADKQLDAFEKDLAKAGTNAGAALDKAYREAVSDIASQSKRLKDTFVNAFKSMGNAGSNALKASLNFIRELPSNVQAALSKLASTVKTGFVNAAKASITAVKNLGTSIKNTAVNIKNGFFSIAKTVQSSIVSAVKISINVIKSIPGAIKSAGISIKSALVSSLQAAKSAAISFAQTTVKVIKSIPGAAKTAATAVKNSFVVAYKAVVVAAYMSVKGTISAVKAIPSATKSAALAVSSAMKTAFSAVASAAKTTGTTVKSALKTGFSAVKSGAKAAGQAGISALKGLGNIAKSTGSLIKSGLVSGFNAAKAAAKGAGAGMREALKNSVEKPAEQARFSILRLAAAFGLIAATKNVVGSAIGRVDTIDTATKSLTVLTGSAKDAQLVMTDLTAAIDGTPIALDAVALGAKKMVAAGMKAANVKPVFTAIADAAYGVGNGSESIDQMTDAISALQASGVAYADDINRLVDAGVPAWQILANSTGKSVGEMKKYVSEGSLESTRAIAMLTKGIEEGTTGMAGNTAKMAGLAKTAGNTISGSFANMKTAAVKSLANIVENLKGPIIQALDVAKNAFKQFAAVTASPEFQKKLSDLIQKIKEFIPVLIEWAPLLAKVAAGFVAFNIISSVFSKVAKLAGAIKSLTSSGSLLSVVANTIKGSFVKLVGTLGSTTAAFGVVVAAVGAVIAVIYGMYTAFKENTAGIKSFLSGMWEAVKNSFGKIIDVFKQIVSALKPVGSGFKGILKYIGVRAWVVLGFALAAVVDVIQVLARIVLVAIKALQGLYYAIKAAFQVLQGDLKGAKKSLEQSKDAFVDAGSAIKDAFNKDNYALTGTVEAFKQMGGEAEKTAKKTETSGKKIKDTLKLVESTAKQTETTVSKSNQAIDTMLSGGVDQYGNKLSEKTKSFLNSAKELYSQYQESAKKSQDAYTAAMEKAQSLEGDKRKKAIADANKTLVDETTKNNSTLLTLQSDYSNMLKTNRWADGQELTAQQKKFLQQQTTDIQTELAKQNQLYVEANLLRLEQGKSLNEKERNTSLEVQKSLYEEKKKAVETGEKSLADLKKKKADASTETEKANYQIQIDEQTKKNQTLSTNLKNWASEMNSIIANGGTLNAQTFANGLSQLGNISDEQLSALWQNFVSTSTSIDNTLAGLAGIMGQRGGEGVQAFVTALQSGDYTTAALNINNDVLSTISSLPNGMFLNGESGKNQFLTAIKSGDFQGAGKYLVDGVKMGTDSIDSEMKTKGQTGGQNFADGVKGKEGAAKSAGSAVKNKAKEGATDPNAFKAVGSKDSAGFNNGVMGGKGGAYSAGSSVGNSAKSGAGSVDSSGVGSDFASGYVNGILSGMGAVGRAAASLANKALAAVQKKQDSHSPSKESKKLGGDFGTGYSLGIADKNKAVTKAANNLVASALGTESQIKKLSSTLKDKISSAIDAGLHSKNKSSGQLKQAKALNSIEGYIVQQTNRLAATAKKRDKVVAQLKAANTKMADLTKQSKEYAASITEKMQSYGSISNVDPENPKSIQAEMQKRLKEIKAFQANVEKLRKKGVSKDIINDILESGVENGSSYAQALAKSDAKTIKAINSTQNQINSASKAMGNTAANAMYSAGINAAKGLINGLNSQKKQLEKAAKSIANTITNSVKKALKIHSPSRVAIELGKFFTGGLGNGVLAGAKGAVQSTNKMVDKVVNAASNMTVPTINLPKISAEKALGLKSVDLNRTITVKTIIDNKTKESSNADLIKAIQQSGDRPIIFNVDGKDIADNTNNHLGSSTSLAFYGKGL
Atome Classification :
(20 SA)
.........10........20........30........40........50........60........70........80........90........100.......110.......120.......130.......140.......150.......160.......170.......180.......190.......200.......210.......220.......230.......240.......250.......260.......270.......280.......290.......300.......310.......320.......330.......340........350...---....360.......370-----.........380.......390.......400.......410.......420.......430.......440.......450.......460.......470.......480.......490.......500.......510.......520.......530.......540.......550.......560.......570.......580.......590.......600.......610.......620.......630.......640.......650.......660.......670.......680.......690.......700.......710.......720.......730---.......740.......750.......760.......770-----.......780.......790.......800.....-..810.......820.......830...-....840.......850.......860...-----....870........880.......890...--....-------900..----.....910.......920.......930.......940.......950........960.....-..970.......980.......990.--......1000...-...1010......1020......1030......1040....-..1050......1060....-..1070......1080......1090......1100......1110......1120......1130......1140......1150......1160......1170......1180......1190......1200......1210......1220......1230......1240......1250......1260......1270......1280......1290......1300......1310......1320......1330......1340......1350......1360......1370......1380......1390......1400......1410......1420......1430......1440......1450......1460......1470......1480......1490......1500......1510......1520......1530......1540......1550......1560......1570......1580......1590......1600......1610......1620......1630......1640......1650......1660......1670..----....1680......1690......1700......1710......1720......1730......1740......1750......1760......1770......1780....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MSDG
S
V
V
I
E
I
SLDDK
K
A
D
K
Q
L
D
A
F
E
K
D
L
A
KAGTN
A
G
A
A
L
D
K
A
Y
R
E
A
V
S
D
I
A
S
Q
S
K
R
L
K
D
T
F
V
N
A
F
K
SMGNAG
S
N
A
L
K
A
S
L
N
F
I
R
EL
P
S
N
V
Q
A
A
L
S
K
L
A
S
T
V
K
T
G
F
V
N
A
A
K
A
S
I
T
A
V
K
N
LGTSIKN
T
A
V
N
IK
N
G
F
F
S
I
A
K
T
V
Q
S
S
I
V
S
A
V
K
I
S
I
N
V
I
K
SI
P
G
A
I
K
S
A
G
I
S
I
K
S
A
L
V
S
S
L
Q
A
A
K
S
A
A
I
S
F
A
Q
T
T
V
K
V
I
K
SIPGA
A
K
T
A
A
T
A
VKNS
F
V
V
A
Y
K
A
V
V
V
A
A
Y
M
SVK
G
T
I
S
A
V
K
AIPSA
T
K
S
A
A
L
A
V
S
S
A
M
K
T
A
F
S
A
V
A
S
A
AKTT
G
T
T
V
K
S
A
L
K
T
G
F
S
A
V
K
S
G
A
K
A
A
G
Q
A
G
I
S
A
L
K
G
L
G
N
I
A
K
S
T
G
S
L
I
K
S
G
L
V
S
G
F
N
A
A
K
A
AAKGAG
A
G
M
R
E
A
L
K
N
S
-
V
EK
P
A
E
Q
A
R
F
S
I
L
R
---
L
A
A
A
F
G
L
I
A
A
T
K
N
V
V
-------
G
S
A
IGRVDTIDTAT
K
S
L
T
V
L
TGSAKD
A
Q
L
V
M
T
D
L
T
A
AIDGTP
I
A
L
D
A
V
A
L
G
A
K
K
M
V
A
AGMKAANV
K
P
V
F
T
A
I
A
D
A
A
YGVGNGS
E
S
I
D
Q
M
T
D
A
I
S
A
L
Q
ASGV
A
Y
A
D
D
I
N
R
L
V
DAGV
P
A
W
Q
I
L
A
NSTGK
S
V
G
E
M
K
K
Y
V
SEGSL
E
S
T
R
A
I
A
M
L
T
K
G
I
EEGTTGMAGN
T
A
K
M
AG
L
A
KTAGNTISGSFAN
M
K
T
A
A
V
K
S
L
A
N
I
V
E
N
LKG
P
I
I
Q
A
L
D
V
A
K
N
A
F
K
Q
F
A
A
VTA
S
P
E
F
Q
K
K
L
S
D
L
I
Q
K
I
K
E
F
I
P
V
L
I
E
W
A
P
L
L
A
K
V
A
A
G
F
V
A
F
N
I
I
S
S
V
F
S
K
V
A
K
L
A
G
A
I
K
S
L
TSSG
S
L
L
S
V
V
A
N
T
I
K
G
S
F
V
K
L
V
G
TLGS
T
T
A
A
F
G
V
V
V
A
A
V
G
A
V
I
A
V
I
Y
G
M
Y
T
A
FKEN
T
A
G
I
K
S
F
L
S
G
M
W
E
A
V
K
N
S
F
G
K
I
I
---
D
V
F
K
Q
I
V
S
A
L
K
P
VG
S
G
F
K
G
I
L
K
Y
I
G
V
R
A
W
V
V
L
G
F
A
L
A
A
V
V
-----
D
V
I
Q
V
L
A
R
I
V
L
V
A
I
K
A
L
Q
G
L
Y
Y
A
I
K
A
A
F
Q
V
L
Q
G
D
L
-
K
G
A
K
K
S
L
E
Q
S
K
D
A
FVDA
G
S
A
I
K
D
A
FNKD-
N
Y
A
L
T
G
T
V
E
A
F
K
Q
MGG
E
A
E
K
TAKKTETS
G
K
-----
K
I
K
D
T
-
L
K
L
V
E
S
T
AKQ
T
E
TTVSKS
N
Q
A
I
D
T
M
--
L
SG
G
-------
V
D
Q
Y
G
----
N
K
L
S
E
K
T
K
S
F
L
N
S
A
K
E
L
Y
S
Q
Y
Q
E
S
A
KKS
Q
D
A
Y
T
A
A
M
E
K
A
Q
SLE
G
D
K
R
-
K
K
A
I
ADANK
T
L
VDETT-KNN
S
T
L
L
T
LQ
S
D
Y
S
N
M
L
KTNRWAD
G
Q
--
E
L
T
A
Q
Q
K
K
F
L
Q
Q
Q
-
T
T
D
I
Q
T
E
L
AKQN
Q
L
Y
V
E
A
N
L
L
R
LEQGKSL
N
E
K
ERNT
S
L
E
V
Q
-
K
S
L
Y
E
E
K
K
K
A
V
ET
G
E
K
S
L
A
D
-
L
K
K
KKADASTETEKA
N
Y
Q
I
Q
IDEQTKKNQT
L
S
T
N
L
K
N
W
A
S
E
M
N
S
I
IANGGTL
N
A
Q
T
F
A
N
G
L
S
Q
LGNI
S
D
E
Q
L
S
A
L
W
Q
N
F
VSTSTS
I
D
N
T
L
A
G
L
A
G
I
M
GQRGG
E
G
V
Q
A
F
V
T
A
L
QSGD
Y
T
T
A
A
L
N
I
N
N
D
V
L
S
T
I
S
SLPN
G
M
F
LNGESG
K
N
Q
F
L
T
AIKSGDFQGA
G
K
Y
L
V
D
G
V
KMGTDSI
D
S
E
M
KTKGQTGGQN
F
A
DGVKGKEGAAKSA
G
S
A
V
K
N
K
A
KEGATDP
N
A
F
K
AVGSKDSAGFNNGVMGGKGGAYSAGSSVGNSAKSGAGSVDSSGVG
S
D
F
A
S
G
Y
V
N
G
I
L
S
G
M
G
A
V
G
R
A
A
A
S
L
A
N
K
A
L
A
A
V
Q
K
KQDSHSP
S
K
E
S
K
KLGGDFGTG
Y
S
LGIADKN
K
A
V
T
K
A
A
N
N
L
V
A
S
ALG
T
E
S
Q
I
K
K
L
S
S
T
L
K
D
K
I
S
S
A
I
D
A
GLHSKNKSSGQ
L
K
Q
A
K
A
L
N
S
IE
G
Y
I
V
QQT
N
R
L
A
A
T
A
K
K
R
D
K
V
V
A
Q
L
K
AANT
K
M
A
D
L
T
K
Q
S
K
E
Y
A
A
S
I
T
E
K
M
Q
SYGSISNVDPEN
P
K
S
I
Q
A
E
M
Q
K
R
L
K
E
I
K
A
F
Q
A
N
V
E
K
L
R
K
KGV
S
K
D
I
I
N
D
I
L
E
S
G
VEN
G
S
S
Y
A
Q
A
L
A
KSD
A
K
T
I
K
A
I
N
S
T
Q
N
Q
I
N
S
A
S
K
AMGN
T
A
A
N
A
M
Y
SA
G
I
N
A
A
K
G
L
I
NG
L
N
S
Q
K
K
Q
L
E
K
A
A
K
S
I
A
N
T
I
T
N
S
V
K
K
A
L
KIHSP
S
R
V
A
I
E
L
G
K
F
F
TGGLGNGV----LAGAKGAV
Q
S
T
N
K
M
V
D
K
V
V
N
AASN
M
T
V
P
T
INLPKISAEKALG
L
K
SVDLN
R
T
I
T
V
K
T
I
IDNKTKESS
N
A
D
L
I
K
A
I
Q
QSGDR
P
I
I
F
NVDGKDIADNTNNHLGSST
S
L
A
F
YGKGL
17
PsiBlast_PDB
90.00
24%
120
- C3 -
4IWO
-
TBK1_HUMAN
A:
[453-652]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
K
D
D
Y
N
E
T
-
V
H
K
K
T
E
V
V
I
T
L
D
F
C
I
R
N
I
E
K
T
V
K
V
Y
-----A
A
E
L
G
E
I
S
D
I
H
T
K
L
L
R
L
S
S
S
Q
G
--
T
I
E
T
S
L
Q
D
I
D
S
R
--
L
S
P
G
GSLAD
A
W
A
H
Q
E
G
THPK
D
R
N
V
E
K
L
Q
V
L
L
N
C
M
T
E
I
Y
Y
Q
F
K
K
D
K
A
E
R
R
L
A
Y
N
E
--
E
Q
I
H
K
F
D
K
Q
K
L
-
Y
Y
H
A
T
K
A
M
T
H
F
T
D
E
C
V
-
K
K
Y
E
A
F
L
N
---------
K
S
E
E
W
I
R
K
M
--
L
H
L
R
K
Q
L
L
S
L
T
N
Q
-
C
F
D
I
E
E
E
V
S
K
Y
Q
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
89.52
24%
127
- C3 -
4IWP
-
TBK1_HUMAN
A:
[452-651]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
K
D
D
Y
N
E
T
-
V
H
K
K
T
E
V
V
I
T
L
D
F
C
I
R
N
I
E
K
T
V
K
V
Y
-----A
A
E
L
G
E
I
S
D
I
H
T
K
L
L
R
L
S
S
S
Q
G
--
T
I
E
T
S
L
Q
D
I
D
S
R
--
L
S
P
G
GSLAD
A
W
A
H
Q
E
G
THPK
D
R
N
V
E
K
L
Q
V
L
L
N
C
M
T
E
I
Y
Y
Q
F
K
K
D
K
A
E
R
R
L
A
Y
N
E
--
E
Q
I
H
K
F
D
K
Q
K
L
-
Y
Y
H
A
T
K
A
M
T
H
F
T
D
E
C
V
-
K
K
Y
E
A
F
L
N
---------
K
S
E
E
W
I
R
K
M
--
L
H
L
R
K
Q
L
L
S
L
T
N
Q
-
C
F
D
I
E
E
E
V
S
K
Y
Q
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
89.34
24%
123
- C3 -
4IW0
-
TBK1_HUMAN
A:
[451-650]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
K
D
D
Y
N
E
T
-
V
H
K
K
T
E
V
V
I
T
L
D
F
C
I
R
N
I
E
K
T
V
K
V
Y
E
K
---LG---
E
I
S
D
I
H
T
K
L
L
R
L
S
S
S
Q
G
--
T
I
E
T
S
L
Q
D
I
D
S
R
--
L
S
P
G
GSLAD
A
W
A
H
Q
E
G
THPK
D
R
N
V
E
K
L
Q
V
L
L
N
C
M
T
E
I
Y
Y
Q
F
K
K
D
K
A
E
R
R
L
A
Y
N
E
--
E
Q
I
H
K
F
D
K
Q
K
L
-
Y
Y
H
A
T
K
A
M
T
H
F
T
D
E
C
V
-
K
K
Y
E
A
F
L
N
---------
K
S
E
E
W
I
R
K
M
--
L
H
L
R
K
Q
L
L
S
L
T
N
Q
-
C
F
D
I
E
E
E
V
S
K
Y
Q
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
84.49
24%
126
- C3 -
4IWQ
-
TBK1_HUMAN
A:
[452-651]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
K
D
D
Y
N
E
T
-
V
H
K
K
T
E
V
V
I
T
L
D
F
C
I
R
N
I
E
K
T
V
K
V
Y
E
----
L
G
---
E
I
S
D
I
H
T
K
L
L
R
L
S
S
S
Q
G
--
T
I
E
T
S
L
Q
D
I
D
S
R
--
L
S
P
G
GSLAD
A
W
A
H
Q
E
G
THPK
D
R
N
V
E
K
L
Q
V
L
L
N
C
M
T
E
I
Y
Y
Q
F
K
K
D
K
A
E
R
R
L
A
Y
N
E
--
E
Q
I
H
K
F
D
K
Q
K
L
-
Y
Y
H
A
T
K
A
M
T
H
F
T
D
E
C
V
-
K
K
Y
E
A
F
L
N
---------
K
S
E
E
W
I
R
K
M
--
L
H
L
R
K
Q
L
L
S
L
T
N
Q
-
C
F
D
I
E
E
E
V
S
K
Y
Q
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
84.23
24%
123
- C3 -
4IM3
2
TBK1_HUMAN
A:
[456-655]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
K
D
D
Y
N
E
T
-
V
H
K
K
T
E
V
V
I
T
L
D
F
C
I
R
N
I
E
K
T
V
K
V
------A
A
E
L
G
E
I
S
D
I
H
T
K
L
L
R
L
S
S
S
Q
G
--
T
I
E
T
S
L
Q
D
I
D
S
R
--
L
S
P
G
GSLAD
A
W
A
H
Q
E
G
THPK
D
R
N
V
E
K
L
Q
V
L
L
N
C
M
T
E
I
Y
Y
Q
F
K
K
D
K
A
E
R
R
L
A
Y
N
E
--
E
Q
I
H
K
F
D
K
Q
K
L
-
Y
Y
H
A
T
K
A
M
T
H
F
T
D
E
C
V
-
K
K
Y
E
A
F
L
N
---------
K
S
E
E
W
I
R
K
M
--
L
H
L
R
K
Q
L
L
S
L
T
N
Q
-
C
F
D
I
E
E
E
V
S
K
Y
Q
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
Fugue
77.07
15%
77
- C2 -
3EDV
5
SPTB2_HUMAN
A:
[2-323]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
H
M
R
H
R
-
L
F
Q
L
N
R
E
V
D
D
L
E
Q
W
I
A
E
R
E
V
V
A
G
-
S
H
E
L
G
Q
-----
D
Y
E
H
V
-
T
M
L
Q
E
R
F
R
E
F
A
R
D
T
G
N
I
G
Q
E
R
V
D
T
V
N
H
L
A
D
E
-------
L
I
N
S
G
----
H
S
D
A
A
T
I
A
E
W
K
D
G
L
N
E
A
W
A
D
L
L
E
L
I
D
T
R
T
Q
I
L
A
A
S
Y
E
L
H
K
F
Y
H
D
A
K
E
I
F
G
R
I
Q
D
K
H
K
K
L
P
E
E
L
G
-
R
D
Q
N
T
V
E
T
L
Q
R
M
H
T
T
F
E
H
D
I
Q
A
L
G
T
Q
V
R
Q
L
Q
E
D
A
A
R
L
Q
A
A
Y
-
A
G
D
K
A
D
D
I
Q
K
R
E
N
E
V
L
E
A
W
K
S
L
L
D
A
C
E
S
R
R
V
R
L
V
D
T
G
D
K
F
R
F
F
S
M
V
R
D
L
M
L
W
M
E
D
V
I
R
Q
I
E
A
-
Q
E
K
P
R
D
V
S
S
V
E
L
L
M
N
N
H
Q
G
I
K
A
E
I
D
A
R
N
D
S
F
T
T
C
I
E
L
G
K
S
L
L
A
R
K
H
Y
A
S
E
E
I
K
E
K
L
L
Q
L
T
E
K
R
K
E
M
I
D
K
W
E
D
R
W
E
W
L
R
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
Fugue
60.41
10%
120
- C2 -
2OEX
-
PDC6I_HUMAN
A:
[361-702]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
S
V
Q
Q
S
L
A
A
Y
N
Q
R
K
A
D
L
V
N
R
S
I
A
Q
M
R
E
A
T
T
L
A
N
G
V
L
A
S
L
N
L
P
A
A
I
E
D
V
S
G
D
T
V
-
P
Q
S
I
L
T
K
S
R
S
V
I
E
Q
G
G
-
I
Q
T
V
D
Q
L
I
K
E
L
P
E
-----
L
L
Q
R
N
-
R
E
I
L
D
E
S
L
R
L
L
D
E
E
E
A
T
D
N
D
L
R
A
K
F
--
K
E
R
W
-------
Q
R
T
P
S
----
N
E
L
Y
K
P
L
R
A
E
G
T
N
F
R
T
V
L
D
K
A
V
Q
A
D
G
Q
V
K
E
C
Y
Q
S
H
R
D
T
I
V
L
L
C
--
K
P
-
E
P
E
L
N
A
A
I
P
S
A
N
P
A
K
T
M
Q
G
S
E
V
V
N
V
L
K
S
L
L
S
N
L
D
E
V
K
K
E
R
E
G
L
--
E
N
D
L
K
S
V
N
---
F
D
M
T
S
K
F
L
T
A
L
A
Q
D
G
V
I
---
N
E
E
A
L
S
V
T
E
L
D
R
V
Y
G
G
L
T
T
K
V
Q
E
S
-
L
K
K
Q
E
G
L
L
K
N
I
Q
V
S
H
Q
E
F
S
K
M
K
Q
S
N
N
E
A
N
L
R
E
E
V
L
K
N
L
A
T
A
Y
D
N
F
V
E
L
V
A
N
L
K
E
G
T
K
F
Y
N
E
L
T
E
I
L
V
R
F
Q
N
K
C
S
D
I
V
F
A
R
K
T
E
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
Fugue
57.16
10%
77
- C2 -
4DYL
-
FES_HUMAN
A:
[0-402]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
M
G
F
S
S
E
L
CS
P
Q
G
H
G
V
L
Q
Q
M
Q
E
A
E
L
R
L
L
E
G
M
R
K
W
M
A
Q
R
V
K
S
D
R
E
Y
A
G
L
L
H
H
M
SPDS
P
I
S
Q
S
W
A
E
I
T
S
Q
T
E
G
L
S
R
L
L
R
Q
H
A
E
D
L
N
S
G
P
L
S
K
L
-
S
L
L
I
R
E
R
Q
Q
L
R
K
T
Y
S
E
Q
W
Q
Q
L
Q
Q
E
L
T
K
T
H
S
Q
D
I
E
K
L
K
S
Q
Y
R
A
L
A
R
D
S
A
Q
A
K
R
K
Y
D
K
A
K
D
-----
K
Y
V
R
S
-
L
W
K
L
F
A
H
H
N
R
Y
V
L
G
V
R
A
A
Q
L
H
H
Q
H
H
--
H
Q
L
L
-------
L
P
G
L
L
----
R
S
L
Q
D
L
H
E
E
M
A
C
I
L
K
E
I
L
Q
E
Y
L
E
I
S
S
L
V
Q
D
E
V
V
A
I
H
R
E
M
A
A
A
A
A
R
I
Q
-
P
E
A
--
E
Y
Q
G
F
L
R
Q
Y
G
S
-
A
P
D
V
P
P
C
V
T
F
D
E
S
L
L
E
P
G
E
L
Q
L
N
E
L
T
--
V
E
S
V
Q
H
T
L
T
S
V
T
D
-
E
L
A
V
A
T
E
M
V
F
R
R
Q
E
M
V
T
Q
L
Q
Q
E
L
R
N
E
E
E
N
T
H
P
R
E
R
V
Q
L
L
G
K
-
R
Q
V
L
Q
E
A
L
Q
G
L
Q
V
A
L
C
S
Q
A
K
-
L
Q
A
Q
Q
E
L
L
Q
T
K
L
E
H
L
G
P
G
E
P
P
P
V
L
L
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
55.06
25%
215
- C3 -
4FF1
1
RPOLV_BPN4
A:
[862-963]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
G
D
F
L
T
Q
K
E
L
N
D
I
Q
A
S
L
N
N
L
A
-
P
M
I
E
T
G
S
Q
T
F
Y
I
A
G
S
E
N
A
--------------
E
V
A
N
Q
V
L
A
T
N
L
D
D
R
M
R
V
P
M
S
I
Y
A
P
A
Q
A
G
V
A
G
I
P
F
M
T
I
G
T
G
D
G
M
M
M
Q
T
L
S
T
M
K
G
A
P
K
N
T
L
K
I
F
D
------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
55.05
25%
220
- C3 -
3C3L
1
RPOLV_BPN4
A:
[862-963]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
G
D
F
L
T
Q
K
E
L
N
D
I
Q
A
S
L
N
N
L
A
-
P
M
I
E
T
G
S
Q
T
F
Y
I
A
G
S
E
N
A
--------------
E
V
A
N
Q
V
L
A
T
N
L
D
D
R
M
R
V
P
M
S
I
Y
A
P
A
Q
A
G
V
A
G
I
P
F
M
T
I
G
T
G
D
G
M
M
M
Q
T
L
S
T
M
K
G
A
P
K
N
T
L
K
I
F
D
------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
54.84
25%
216
- C3 -
4FF2
4
RPOLV_BPN4
A:
[862-963]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
G
D
F
L
T
Q
K
E
L
N
D
I
Q
A
S
L
N
N
L
A
-
P
M
I
E
T
G
S
Q
T
F
Y
I
A
G
S
E
N
A
--------------
E
V
A
N
Q
V
L
A
T
N
L
D
D
R
M
R
V
P
M
S
I
Y
A
P
A
Q
A
G
V
A
G
I
P
F
M
T
I
G
T
G
D
G
M
M
M
Q
T
L
S
T
M
K
G
A
P
K
N
T
L
K
I
F
D
------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
54.82
25%
215
- C3 -
3C46
1
RPOLV_BPN4
A:
[862-963]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
G
D
F
L
T
Q
K
E
L
N
D
I
Q
A
S
L
N
N
L
A
-
P
M
I
E
T
G
S
Q
T
F
Y
I
A
G
S
E
N
A
--------------
E
V
A
N
Q
V
L
A
T
N
L
D
D
R
M
R
V
P
M
S
I
Y
A
P
A
Q
A
G
V
A
G
I
P
F
M
T
I
G
T
G
D
G
M
M
M
Q
T
L
S
T
M
K
G
A
P
K
N
T
L
K
I
F
D
------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
54.56
25%
224
- C3 -
3C2P
1
RPOLV_BPN4
A:
[862-963]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
G
D
F
L
T
Q
K
E
L
N
D
I
Q
A
S
L
N
N
L
A
-
P
M
I
E
T
G
S
Q
T
F
Y
I
A
G
S
E
N
A
--------------
E
V
A
N
Q
V
L
A
T
N
L
D
D
R
M
R
V
P
M
S
I
Y
A
P
A
Q
A
G
V
A
G
I
P
F
M
T
I
G
T
G
D
G
M
M
M
Q
T
L
S
T
M
K
G
A
P
K
N
T
L
K
I
F
D
------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
54.45
25%
218
- C3 -
2PO4
-
A:
[850-951]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
G
D
F
L
T
Q
K
E
L
N
D
I
Q
A
S
L
N
N
L
A
-
P
M
I
E
T
G
S
Q
T
F
Y
I
A
G
S
E
N
A
--------------
E
V
A
N
Q
V
L
A
T
N
L
D
D
R
M
R
V
P
M
S
I
Y
A
P
A
Q
A
G
V
A
G
I
P
F
M
T
I
G
T
G
D
G
M
M
M
Q
T
L
S
T
M
K
G
A
P
K
N
T
L
K
I
F
D
------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
54.35
25%
214
- C3 -
3Q23
5
RPOLV_BPN4
A:
[862-963]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
G
D
F
L
T
Q
K
E
L
N
D
I
Q
A
S
L
N
N
L
A
-
P
M
I
E
T
G
S
Q
T
F
Y
I
A
G
S
E
N
A
--------------
E
V
A
N
Q
V
L
A
T
N
L
D
D
R
M
R
V
P
M
S
I
Y
A
P
A
Q
A
G
V
A
G
I
P
F
M
T
I
G
T
G
D
G
M
M
M
Q
T
L
S
T
M
K
G
A
P
K
N
T
L
K
I
F
D
------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
54.23
25%
216
- C3 -
3Q24
3
RPOLV_BPN4
A:
[862-963]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
G
D
F
L
T
Q
K
E
L
N
D
I
Q
A
S
L
N
N
L
A
-
P
M
I
E
T
G
S
Q
T
F
Y
I
A
G
S
E
N
A
--------------
E
V
A
N
Q
V
L
A
T
N
L
D
D
R
M
R
V
P
M
S
I
Y
A
P
A
Q
A
G
V
A
G
I
P
F
M
T
I
G
T
G
D
G
M
M
M
Q
T
L
S
T
M
K
G
A
P
K
N
T
L
K
I
F
D
------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
54.22
25%
218
- C3 -
3Q0A
2
RPOLV_BPN4
A:
[862-963]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
G
D
F
L
T
Q
K
E
L
N
D
I
Q
A
S
L
N
N
L
A
-
P
M
I
E
T
G
S
Q
T
F
Y
I
A
G
S
E
N
A
--------------
E
V
A
N
Q
V
L
A
T
N
L
D
D
R
M
R
V
P
M
S
I
Y
A
P
A
Q
A
G
V
A
G
I
P
F
M
T
I
G
T
G
D
G
M
M
M
Q
T
L
S
T
M
K
G
A
P
K
N
T
L
K
I
F
D
------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
54.18
25%
220
- C3 -
3Q22
4
RPOLV_BPN4
A:
[862-963]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
G
D
F
L
T
Q
K
E
L
N
D
I
Q
A
S
L
N
N
L
A
-
P
M
I
E
T
G
S
Q
T
F
Y
I
A
G
S
E
N
A
--------------
E
V
A
N
Q
V
L
A
T
N
L
D
D
R
M
R
V
P
M
S
I
Y
A
P
A
Q
A
G
V
A
G
I
P
F
M
T
I
G
T
G
D
G
M
M
M
Q
T
L
S
T
M
K
G
A
P
K
N
T
L
K
I
F
D
------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
53.73
35%
174
- C3 -
4YWE
3
?
A:
[165-260]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
R
S
V
G
A
A
L
A
A
G
N
A
C
V
V
K
P
A
E
D
A
C
L
S
V
L
R
V
A
E
L
A
A
E
A
G
L
P
A
G
A
L
N
I
V
T
G
Y
GHE
A
G
A
A
L
A
R
H
P
G
I
D
H
I
S
-----
F
T
G
S
P
A
T
G
K
L
V
T
Q
--
M
A
A
E
N
H
V
P
V
T
L
E
---
L
G
G
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
53.71
25%
220
- C3 -
4FF4
5
RPOLV_BPN4
A:
[862-963]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
G
D
F
L
T
Q
K
E
L
N
D
I
Q
A
S
L
N
N
L
A
-
P
M
I
E
T
G
S
Q
T
F
Y
I
A
G
S
E
N
A
--------------
E
V
A
N
Q
V
L
A
T
N
L
D
D
R
M
R
V
P
M
S
I
Y
A
P
A
Q
A
G
V
A
G
I
P
F
M
T
I
G
T
G
D
G
M
M
M
Q
T
L
S
T
M
K
G
A
P
K
N
T
L
K
I
F
D
------------------------------------------------------------------------------------------------